1.2k citations · 1.4k across the 9 of their papers we have counts for
9 papers
A Perspective on Phase Space Electronic Structure Theory : From Its Surface Hopping Origins Through To Its Future Promise
Joseph E. Subotnik, Ethan Alguire, Nicole Bellonzi +20
We trace the history of phase space electronic structure theory (PSEST), high- lighting how this powerful approach emerged from fundamental questions in semi- classical surface hop…
The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r^4) scaling
Neil Shenvi, Helen Van Aggelen, Yang Yang +3
Tensor hypercontraction is a method that allows the representation of a high-rank tensor as a product of lower-rank tensors. In this paper, we show how tensor hypercontraction can…
Using tensor hypercontraction density fitting to achieve an O(L^4) CISD algorithm
Neil Shenvi, Helen Van Aggelen, Weitao Yang
Recently, Hohenstein et al[1] introduced tensor hypercontraction density fitting to decompose the rank-4 electron repulsion integral tensor as the product of five rank-2 tensors. I…
Universal Scaling of Hyperfine-Induced Electron Spin Echo Decay
Neil Shenvi, Rogerio de Sousa, K. Birgitta Whaley
The decoherence of a localized electron spin in a lattice of nuclear spins is an important problem for potential solid-state implementations of a quantum computer. We demonstrate t…
Non-Perturbative Bounds on Hyperfine-Induced Electron Spin Coherence Times
Neil Shenvi, Rogerio de Sousa, K. Birgitta Whaley
We address the decoherence of a localized electron spin in an external magnetic field due to the hyperfine interaction with a lattice of nuclear spins. Using a completely non-pertu…
Qubit coherence control in a nuclear spin bath
Rogerio de Sousa, Neil Shenvi, K. Birgitta Whaley
Coherent dynamics of localized spins in semiconductors is limited by spectral diffusion arising from dipolar fluctuation of lattice nuclear spins. Here we extend the semiclassical…